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Catalytically inactive yeast pseudouridine synthase, PUS1, bound to RNA

Analyse Catalytically inactive yeast pseudouridine synthase, PUS1, bound to RNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7R9G
Type
protein + RNA
Length
398 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
TRNA pseudouridine synthase 1; RNA (5'- R(*AP*AP*AP*UP*CP*GP*GP*GP*AP*UP*UP*CP*CP*GP*GP*AP…
EC
5.4.99.-
UniProt
Q12211
Ligands
SO4, CL
Pockets
6 · best druggability 0.60

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATRNA pseudouridine synthase 1 (EC 5.4.99.-)protein38639% helix, 19% strandQ12211
BRNA (5'- R(*AP*AP*AP*UP*CP*GP*GP*GP*AP*UP*UP*CP*CP*GP*GP*AP*UP*A)-3')rna12——

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains A
  • CL · Chloride ion · ion · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11450.600.8424SO4, CL
23380.590.7740empty
31070.540.8324empty
4880.440.7918empty
5790.380.7719empty

Interfaces

1 interface between chains.

  • A–B · 475 Ų buried · 6 hydrogen bonds · protein-nucleic

Compared structures

  • 7R9G · Catalytically inactive yeast Pseudouridine Synthase, PUS1, bound to RNA · the same entry in another collection · chain A against A, TM-score 1.00
  • Q12211 · AlphaFold monomer V2.0 prediction for tRNA pseudouridine synthase 1 (Q12211) · a predicted model of the same protein · chain A against A, TM-score 0.98

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